SCHEMBL25251069

SCHEMBL25251069

CN1CC(C(N)=O)NC1=O

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.39
BRD4 O60885 2/20 0.32
GLI1 P08151 1/20 0.31
ACE P12821 1/20 0.31
GAA P10253 1/20 0.31
SORT1 Q99523 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5365854 0.81 P2RX7 (0.40) P2RX7ACE
SCHEMBL8232195 0.81 P2RX7 (0.40) P2RX7BRD4
SCHEMBL288353 0.81 P2RX7 (0.40) P2RX7ACE
SCHEMBL5081569 0.81 P2RX7 (0.40) P2RX7ACE
SCHEMBL6999553 0.81 P2RX7 (0.40) P2RX7ACE
Hydrochloric Acid SCHEMBL28572830 0.79 P2RX7 (0.39) P2RX7ACE
Lithium Ion SCHEMBL30619228 0.78 P2RX7 (0.38) P2RX7BRD4
SCHEMBL31391836 0.76 P2RX7 (0.46) P2RX7BRD4SORT1
SCHEMBL8231477 0.76 P2RX7 (0.40) P2RX7BRD4ACE
SCHEMBL8422246 0.76 P2RX7 (0.40) P2RX7BRD4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023125918-A1 DNA POLYMERASE THETA INHIBITOR AND USE THEREOF 上海湃隆生物科技有限公司 2023-07-06 WO disclosed